trisodium (E)-1-[(E)-octadec-9-enoxy]octadec-9-ene phosphate

Systemtic Name: trisodium (E)-1-[(E)-octadec-9-enoxy]octadec-9-ene phosphate Openeye Name: trisodium (E)-1-[(E)-octadec-9-enoxy]octadec-9-ene phosphate CAS Name: trisodium (E)-1-[(E)-octadec-9-enoxy]-9-octadecene phosphate IUPAC Name: trisodium (E)-1-[(E)-octadec-9-enoxy]octadec-9-ene phosphate Traditional Name: trisodium (E)-1-[(E)-octadec-9-enoxy]octadec-9-ene phosphate Formula: C108H210Na3O7P MolecularWeight: 1720.761871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCCCCCCCCC=CCCCCCCCC.CCCCCCCCC=CCCCCCCCCOCCCCCCCCC=CCCCCCCCC.CCCCCCCCC=CCCCCCCCCOCCCCCCCCC=CCCCCCCCC.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCCCCCCCC/C=C/CCCCCCCC.CCCCCCCC/C=C/CCCCCCCCOCCCCCCCC/C=C/CCCCCCCC.CCCCCCCC/C=C/CCCCCCCCOCCCCCCCC/C=C/CCCCCCCC.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C36H70O.3Na.H3O4P/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;1-5(2,3)4/h3*17-20H,3-16,21-36H2,1-2H3;;;;(H3,1,2,3,4)/q;;;3*+1;/p-3/b3*19-17+,20-18+;;;;